1-tert-butyl-3-(3-methyl-4-pyridinyl)urea

C11H17N3O — CID 103881214

IUPAC1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)NC(C)(C)C
InChIInChI=1S/C11H17N3O/c1-8-7-12-6-5-9(8)13-10(15)14-11(2,3)4/h5-7H,1-4H3,(H2,12,13,14,15)
InChIKeyWIGXBSFVOJSGOK-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.31
Rot. Bonds1

About 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea

1-tert-butyl-3-(3-methyl-4-pyridinyl)urea (PubChem CID 103881214) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
PubChem CID103881214
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
SMILESCc1cnccc1NC(=O)NC(C)(C)C
InChIInChI=1S/C11H17N3O/c1-8-7-12-6-5-9(8)13-10(15)14-11(2,3)4/h5-7H,1-4H3,(H2,12,13,14,15)
InChIKeyWIGXBSFVOJSGOK-UHFFFAOYSA-N
XLogP2.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
2-anilino-N-(3-methyl-4-pyridinyl)acetamide
CID 63670867
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
CID 119049795

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea (CID 103881214) is 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea is Cc1cnccc1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is WIGXBSFVOJSGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-12-6-5-9(8)13-10(15)14-11(2,3)4/h5-7H,1-4H3,(H2,12,13,14,15).
What are the key properties of 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea?
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 207.28 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 103881214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).